2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol

C15H20O2 — CID 155550100

IUPAC2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol
SMILESC=C(C)CCC1(C)CCc2cc(O)ccc2O1
InChIInChI=1S/C15H20O2/c1-11(2)6-8-15(3)9-7-12-10-13(16)4-5-14(12)17-15/h4-5,10,16H,1,6-9H2,2-3H3
InChIKeyYEKVFPDJBJSCQZ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.83
Rot. Bonds3

About 2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol

2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol (PubChem CID 155550100) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol
PubChem CID155550100
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol
SMILESC=C(C)CCC1(C)CCc2cc(O)ccc2O1
InChIInChI=1S/C15H20O2/c1-11(2)6-8-15(3)9-7-12-10-13(16)4-5-14(12)17-15/h4-5,10,16H,1,6-9H2,2-3H3
InChIKeyYEKVFPDJBJSCQZ-UHFFFAOYSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
7-[(2-methyl-2-nonyl-3,4-dihydrochromen-6-yl)oxy]heptanoic acid
CID 59545007
2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol
CID 155554322
1-(2-butyl-2-methyl-3,4-dihydrochromen-6-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
CID 163438094
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
ethyl 3-[6-[(4-cyanobenzoyl)amino]-2-methyl-3,4-dihydrochromen-2-yl]propanoate
CID 18427863
1-(2,4-dihydroxyphenyl)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-en-1-one
CID 74830747
4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one
CID 59858087
1-[(2-methyl-2-nonyl-3,4-dihydrochromen-6-yl)oxy]butane-1-sulfonic acid
CID 87134645
7-[[2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-yl]oxy]heptanoic acid
CID 59545061
ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 143131950
tert-butyl 6-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 121207045

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol (CID 155550100) is 2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol is C=C(C)CCC1(C)CCc2cc(O)ccc2O1.
What is the InChIKey of 2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol?
The InChIKey is YEKVFPDJBJSCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)6-8-15(3)9-7-12-10-13(16)4-5-14(12)17-15/h4-5,10,16H,1,6-9H2,2-3H3.
What are the key properties of 2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol?
2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol has a molecular weight of 232.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbut-3-enyl)-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 155550100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).